Home Other Building Blocks 3-(1H-1,2,3-triazol-4-yl)propanoic acid hydrochloride

3-(1H-1,2,3-triazol-4-yl)propanoic acid hydrochloride

CAS No.:
1864015-25-7
Catalog Number:
AG01AUS9
Molecular Formula:
C5H8ClN3O2
Molecular Weight:
177.5889
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Product Description
Catalog Number:
AG01AUS9
Chemical Name:
3-(1H-1,2,3-triazol-4-yl)propanoic acid hydrochloride
CAS Number:
1864015-25-7
Molecular Formula:
C5H8ClN3O2
Molecular Weight:
177.5889
MDL Number:
MFCD29041194
IUPAC Name:
3-(2H-triazol-4-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C5H7N3O2.ClH/c9-5(10)2-1-4-3-6-8-7-4;/h3H,1-2H2,(H,9,10)(H,6,7,8);1H
InChI Key:
WIRFIXMVWZBYQB-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c[nH]nn1.Cl
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.031g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
177.588g/mol
Monoisotopic Mass:
177.031g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties